ICIQ secures 4 projects in the "Generación de Conocimiento 2021" call by the State Research Agency (AEI)

The Institute of Chemical Research of Catalonia (ICIQ-CERCA) has been awarded four projects in the State Research Agency (AEI) “Generación de Conocimiento 2021” call. This initiative aims to support high-quality research projects that drive scientific progress while tackling some of today’s most urgent global challenges, including climate change, energy sustainability and resource scarcity.

These projects will contribute to the development of innovative technologies to address these pressing issues, reinforcing ICIQ’s commitment to advancing research in chemistry for a more sustainable future.

 

The ICIQ projects that have been awarded funding are:

> CAT-NAT: De novo sp3 carbon-carbon and carbon-heteroatom bond-forming reactions via catalytic functionalization of native functional groups (Prof. Rubén Martín, proyecto PID2021-123801NB-I00 financiado por MCIN/AEI/10.13039/501100011033/ FEDER, UE)

This project offers a series of catalytic methodologies for forging sp3 linkages by harnessing native functional groups such as sp3 C-H bonds, aliphatic carboxylic acids, aliphatic alcohols, alpha olefins and CC bonds as adaptative handles for bond-construction, without losing sight the mechanistic implications of these processes. The multidisciplinary nature of the project is illustrated by the merger of organic synthesis, organometallic catalysis and light-induced processes for streamlining the synthesis of valuable structures in the drug discovery pipeline, even in the context of late-stage functionalization, such as carboxylic acids, nitrogen containing heterocycles or fluorinated molecules, among others.

 

> NatureQuantumET: The role of coherence in photosynthetic light-harvesting: does energy transfer proceed via a quantum-coherent mechanism? (Dr. Elisabet Romero, proyecto PID2021-129065OA-I00 financiado por MCIN/AEI/10.13039/501100011033/ FEDER, UE)

Since the first report presenting evidence of coherence effects in photosynthetic light-harvesting, this topic has raised great interest within the scientific community. The presence of coherence has been demonstrated, now the interest is shifted to confirm the concept of coherence-enhanced function. The concept of coherence-enhanced energy and electron transfer processes in photosynthesis is an ongoing matter of passionate debate within the scientific community because it encloses a fundamental question: Is Photosynthesis, and by extension Nature, utilizing coherence to achieve its amazing efficiency? Or in other words:Is coherence playing an essential role in determining the high speed and efficiency of photosynthetic light-harvesting and charge separation?

 

> NEWBOUND: New boundary conditions for advanced electrocatalysis: from magnetic field effects to solventless configurations (Prof. José Ramón Galán, proyecto PID2021-124796OB-I00 financiado por MCIN/AEI/10.13039/501100011033/ FEDER, UE)

The project proposes to shift the research paradigm in electrocatalysis, using the full cell design as a tool for discovery. This strategy allows for accurate control in reaction conditions, and in the fundamental parameters which determine productivity and selectivity. We propose to study three model reactions: 1) OER under magnetic fields; 2) Selective oxidation of H2O to H2O2; and 3) Selective oxidation of CH4 to CH3OH. In summary, NEWBOUND proposes a top-down approach to establish electrochemical working conditions to advance in the optimization of electrocatalytic solutions for applications in circular economy and sustainability.

 

> SMELT: Simulations of dynamic materials for photo-electro-catalytic processes (Prof Núria López, proyecto PID2021-122516OB-I00  financiado por MCIN/AEI/10.13039/501100011033/ FEDER, UE)

SMELT aims at employing computational models to help finding new catalytic materials for highly demanded transformations including CO2 conversion, thermal, electrochemical or photoelectrochemical, the oxygen evolution reaction and N2 conversion to ammonia. Due to the complexity of these reactions and to go beyond standard catalytic formulations complex materials that evolve under reaction conditions are needed. These dynamic processes have been mostly overlooked in the past, particularly as they are difficult to address with standard Density Functional Theory and periodic boundary conditions.

 

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